SCHEMBL17629556

SCHEMBL17629556

CCOC(=O)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1=C(C(=O)OCC(C)C)COCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ CACNA1F O60840 2/20 0.35
▸ CACNA1D Q01668 2/20 0.35
▸ CACNA1S Q13698 2/20 0.35
▸ CACNA1C Q13936 2/20 0.35
▸ PTGER4 P35408 2/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17629533 0.84 TRPM2 (0.36) PPARGEPHX2PTGER4TRPM2CETP
SCHEMBL17629562 0.83 CACNA1F (0.36) PPARGEPHX2CACNA1FCACNA1DCACNA1S
SCHEMBL17629532 0.82 ALDH1A1 (0.37) PPARGEPHX2TRPM2CETPMAPT
SCHEMBL17629564 0.77 PPARG (0.35) PPARGEPHX2CACNA1FCACNA1DCACNA1S
SCHEMBL17629530 0.77 PTGER4 (0.43) PPARGEPHX2CACNA1FCACNA1DCACNA1S
SCHEMBL19251713 0.77 TLR2 (0.39) PPARGEPHX2TRPM2CETPMAPT
SCHEMBL19251687 0.74 PPARG (0.38) PPARGEPHX2TRPM2CETPMAPT
SCHEMBL19251699 0.72 MAPT (0.39) TRPM2CETPMAPT
SCHEMBL3265220 0.70 LMNA (0.37) MAPTCHRM2CHRM1CHRM3
SCHEMBL941008 0.66 CETP (0.38) PPARGEPHX2CETPMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197455-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-12-30 — — EP disclosed
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US disclosed
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — US disclosed
EP-3197455-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP disclosed
WO-2016049097-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase HIF1AN, HIF1A, EGLN2 PPARG 741/4885EPHX2 996/4885CACNA1F 4585/4885
US-20170240555-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PPARG 741/4885EPHX2 996/4885CACNA1F 4585/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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